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CHEBI:205191 - 3beta-hydroxyl-(22E, 24R)-ergosta-5,8(14),22-trien-7,15-dione

ChEBI IDCHEBI:205191
ChEBI Name3beta-hydroxyl-(22E, 24R)-ergosta-5,8(14),22-trien-7,15-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O3
Net Charge0
Average Mass424.625
Monoisotopic Mass424.29775
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)C2=C3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C28H40O3/c1-16(2)17(3)7-8-18(4)22-15-24(31)26-25-21(10-12-28(22,26)6)27(5)11-9-20(29)13-19(27)14-23(25)30/h7-8,14,16-18,20-22,29H,9-13,15H2,1-6H3/b8-7+/t17-,18+,20-,21-,22+,27-,28+/m0/s1
InChIKeyUHHQPKKABSPLSY-LOSNMUTHSA-N
Species of MetaboliteComponentSourceComments
Rhizopusspecies (ncbitaxon:1914426) - PubMed (17900642)
ChEBI Ontology
Outgoing Relation(s)
3beta-hydroxyl-(22E, 24R)-ergosta-5,8(14),22-trien-7,15-dione (CHEBI:205191) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-7,15-dione
Manual XrefsDatabases
26949203ChemSpider